%chk=000181311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181311

0 1
O 2.564779 0.924641 -0.822839
O -3.238505 1.484638 -3.237193
O 4.850106 -0.716142 -0.558242
O 6.012791 -1.094127 -2.427937
C 0.280454 0.562580 -0.034713
C 0.184383 0.030258 1.423541
C 1.501278 1.526691 -0.085143
C 1.920593 1.805642 1.369311
C 1.206067 0.805658 2.236286
C 0.384839 -1.494863 1.498683
C -0.977846 1.281499 -0.427589
C 1.421536 0.649861 3.540558
C 1.712230 -1.945079 0.965939
C -1.766905 0.879663 -1.425738
C -3.041909 1.586027 -1.806431
C -4.291587 0.903686 -1.229202
C 1.840658 -2.817010 -0.038591
C -4.487800 1.236067 0.252107
C 3.167401 -3.308693 -0.535503
C -5.731960 0.538518 0.817789
C 3.354914 -3.066542 -2.040182
C -5.937386 0.872268 2.302091
C 3.603536 -1.591075 -2.376373
C -7.173238 0.178144 2.870082
C 4.940368 -1.136944 -1.877952
H 0.482789 -0.283076 -0.737840
H -0.831595 0.254264 1.837773
H 1.303808 2.448494 -0.671240
H 3.019936 1.737308 1.481626
H 1.659310 2.838150 1.669041
H -0.452349 -1.991017 0.965212
H 0.296204 -1.824068 2.557085
H -1.209537 2.163565 0.172613
H 2.144676 1.224342 4.097813
H 0.894687 -0.065027 4.152550
H 2.981986 0.176670 -0.320277
H 2.575753 -1.512492 1.474464
H -1.550021 -0.002844 -2.029882
H -3.014905 2.671445 -1.557111
H -5.170454 1.226255 -1.826786
H -4.226752 -0.191030 -1.382423
H 0.976170 -3.238086 -0.552093
H -4.579108 2.331565 0.386332
H -3.590968 0.931156 0.826957
H 3.249561 -4.396180 -0.323343
H 4.002916 -2.834897 0.025612
H -5.643305 -0.557364 0.688192
H -6.627946 0.835943 0.239056
H -2.446753 1.792160 -3.716149
H 4.197338 -3.683958 -2.414031
H 2.460115 -3.412920 -2.596237
H -6.032523 1.968216 2.431980
H -5.042413 0.575189 2.882853
H 2.793239 -0.951112 -1.942486
H 3.558174 -1.430682 -3.475667
H -8.084715 0.480181 2.341448
H -7.096472 -0.912288 2.791661
H -7.313023 0.421856 3.929193
H 5.711677 -0.370286 -0.207653


%chk=000181311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181311

0 1
O 2.844448 1.863591 -1.225937
O -2.847610 1.914831 -3.149551
O 4.359301 -0.524628 -0.760898
O 4.868633 -2.773689 -0.979486
C 0.733160 1.322109 0.053039
C 0.773351 0.953166 1.579474
C 1.919455 2.336669 -0.196023
C 2.595782 2.542863 1.193760
C 2.182428 1.343819 2.034325
C 0.296514 -0.498472 1.878336
C -0.614432 1.838652 -0.385033
C 2.924521 0.754082 3.003356
C 1.151946 -1.586537 1.260426
C -1.456912 1.213821 -1.250056
C -2.804055 1.754510 -1.671330
C -3.982831 0.822436 -1.334074
C 0.755661 -2.436207 0.275042
C -4.255965 0.700510 0.180529
C 1.635286 -3.510366 -0.334550
C -5.455468 -0.219146 0.501666
C 2.036853 -3.230386 -1.812727
C -5.745282 -0.335380 2.015603
C 2.790547 -1.893773 -2.010548
C -6.946586 -1.252506 2.331599
C 4.083959 -1.835902 -1.224633
H 0.966543 0.407546 -0.524806
H 0.067922 1.634201 2.108495
H 1.549010 3.288625 -0.611205
H 3.686799 2.678427 1.100382
H 2.192004 3.466627 1.658227
H -0.746167 -0.595296 1.516615
H 0.265046 -0.634548 2.979268
H -0.930756 2.799144 0.058122
H 3.921617 1.126753 3.266235
H 2.556309 -0.103807 3.577498
H 3.307228 1.027399 -0.935412
H 2.177797 -1.678143 1.647860
H -1.166910 0.256741 -1.711376
H -2.968639 2.742829 -1.184988
H -4.879077 1.221923 -1.848028
H -3.782960 -0.176092 -1.770864
H -0.266340 -2.347070 -0.129874
H -4.448922 1.709268 0.603218
H -3.350517 0.316328 0.694292
H 1.108697 -4.485514 -0.308355
H 2.553342 -3.631134 0.271440
H -5.265874 -1.231223 0.086610
H -6.360638 0.162712 -0.015187
H -2.027489 2.396565 -3.430902
H 2.669093 -4.064146 -2.170513
H 1.131282 -3.207072 -2.449384
H -5.932684 0.677188 2.428234
H -4.840755 -0.718066 2.531635
H 2.161697 -1.031280 -1.736779
H 3.053083 -1.768147 -3.080350
H -7.869647 -0.875765 1.851786
H -6.770734 -2.278957 1.957819
H -7.133334 -1.316663 3.419464
H 5.225568 -0.518623 -0.270480


